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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastric inhibitory polypeptide receptor' and Ligand = 'BDBM50275569'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50275569
PNG
(CHEMBL4130148)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C184H285N51O57/c1-20-94(10)144(174(285)211-114(55-60-141(252)253)159(270)217-121(74-102-78-196-106-43-28-27-42-104(102)106)163(274)215-118(71-93(8)9)171(282)231-183(16,17)180(291)204-95(11)148(259)198-80-136(246)197-83-139(249)232-64-34-47-129(232)172(283)224-127(87-239)170(281)222-125(85-237)152(263)200-81-137(247)202-97(13)177(288)234-66-36-49-131(234)179(290)235-67-37-50-132(235)178(289)233-65-35-48-130(233)173(284)221-124(84-236)147(191)258)228-166(277)119(72-100-38-23-21-24-39-100)216-160(271)115(68-90(2)3)212-155(266)107(44-29-31-61-185)205-149(260)96(12)203-153(264)109(46-33-63-195-182(192)193)206-156(267)111(52-57-134(189)244)209-157(268)113(54-59-140(250)251)210-164(275)122(76-142(254)255)218-161(272)116(69-91(4)5)213-158(269)112(53-58-135(190)245)208-154(265)108(45-30-32-62-186)207-168(279)126(86-238)223-162(273)117(70-92(6)7)214-165(276)123(77-143(256)257)219-169(280)128(88-240)225-176(287)146(99(15)242)229-167(278)120(73-101-40-25-22-26-41-101)220-175(286)145(98(14)241)227-138(248)82-199-151(262)110(51-56-133(188)243)226-181(292)184(18,19)230-150(261)105(187)75-103-79-194-89-201-103/h21-28,38-43,78-79,89-99,105,107-132,144-146,196,236-242H,20,29-37,44-77,80-88,185-187H2,1-19H3,(H2,188,243)(H2,189,244)(H2,190,245)(H2,191,258)(H,194,201)(H,197,246)(H,198,259)(H,199,262)(H,200,263)(H,202,247)(H,203,264)(H,204,291)(H,205,260)(H,206,267)(H,207,279)(H,208,265)(H,209,268)(H,210,275)(H,211,285)(H,212,266)(H,213,269)(H,214,276)(H,215,274)(H,216,271)(H,217,270)(H,218,272)(H,219,280)(H,220,286)(H,221,284)(H,222,281)(H,223,273)(H,224,283)(H,225,287)(H,226,292)(H,227,248)(H,228,277)(H,229,278)(H,230,261)(H,231,282)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H4,192,193,195)/t94-,95-,96-,97-,98+,99+,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,144-,145-,146-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 114n/an/an/an/a



Sanofi-Aventis Deutschland GmbH

Curated by ChEMBL


Assay Description
Agonist activity at human GIP receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay


J Med Chem 61: 5580-5593 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00292
BindingDB Entry DOI: 10.7270/Q2NP26XR
More data for this
Ligand-Target Pair